5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane

C13H25NO — CID 176747824

IUPAC5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane
SMILESCC(C)(C)C1C2COC(C2)N1C(C)(C)C
InChIInChI=1S/C13H25NO/c1-12(2,3)11-9-7-10(15-8-9)14(11)13(4,5)6/h9-11H,7-8H2,1-6H3
InChIKeyLAWFGWLUSQOYNZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.88
Rot. Bonds

About 5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane

5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane (PubChem CID 176747824) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane
PubChem CID176747824
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane
SMILESCC(C)(C)C1C2COC(C2)N1C(C)(C)C
InChIInChI=1S/C13H25NO/c1-12(2,3)11-9-7-10(15-8-9)14(11)13(4,5)6/h9-11H,7-8H2,1-6H3
InChIKeyLAWFGWLUSQOYNZ-UHFFFAOYSA-N
XLogP2.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane?
The IUPAC name of 5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane (CID 176747824) is 5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane is CC(C)(C)C1C2COC(C2)N1C(C)(C)C.
What is the InChIKey of 5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane?
The InChIKey is LAWFGWLUSQOYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2,3)11-9-7-10(15-8-9)14(11)13(4,5)6/h9-11H,7-8H2,1-6H3.
What are the key properties of 5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane?
5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane has a molecular weight of 211.35 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 176747824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).